C660-0680 Screening compound: 3-(4-chlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C660-0680 Screening compound: 3-(4-chlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
C660-0680 Screening compound: 3-(4-chlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0680
3-(4-chlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C660-0680

Molecular Formula

C21H26ClN5O (C21 H26 ClN5 O)

Compound Name

3-(4-chlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

IUPAC name

3-(4-chlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

CCC1N(CCCNc2c(c(-c(cc3)ccc3Cl)no3)c3ncn2)CCCC1

InChI

InChI=1S/C21H26ClN5O/c1-2-17-6-3-4-12-27(17)13-5-11-23-20-18-19(15-7-9-16(22)10-8-15)26-28-21(18)25-14-24-20/h7-10,14,17H,2-6,11-13H2,1H3,(H,23,24,25)/t17-/m0/s1

InChI Key

MMXBNQCPKCGOGK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14780224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

2.129

Water Solubility, LogSw

-4.74

Polar Surface Area

56.659

Acid Dissociation Constant (pKa)

18.99

Base Dissociation Constant (pKb)

9.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

C660-0680 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C660-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0680?
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What is the minimum amount of C660-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0680
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C660-0680 available by request